==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-JAN-12 3VC7 . COMPND 2 MOLECULE: PUTATIVE OXIDOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SINORHIZOBIUM MELILOTI; . AUTHOR A.GHOSH,R.BHOSHLE,R.TORO,A.GIZZI,B.HILLERICH,R.SEIDEL,S.C.AL . 475 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20581.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 364 76.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 75 15.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 35 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 36.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 4 4 2 2 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 3 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 4 A N 0 0 153 0, 0.0 27,-0.1 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 -5.0 2.6 16.5 -6.2 2 5 A Y > + 0 0 30 25,-2.2 3,-1.5 22,-0.1 28,-0.2 0.043 360.0 151.3-118.9 21.4 2.0 14.8 -9.6 3 6 A Q T 3 + 0 0 170 1,-0.3 26,-0.2 26,-0.1 3,-0.1 -0.295 69.5 5.9 -59.4 130.7 3.8 17.6 -11.5 4 7 A G T 3 S+ 0 0 57 24,-0.6 -1,-0.3 1,-0.3 2,-0.2 0.214 97.8 131.5 82.8 -16.6 5.5 16.5 -14.7 5 8 A K < - 0 0 70 -3,-1.5 25,-2.5 19,-0.1 2,-0.5 -0.467 43.1-156.8 -73.0 137.2 4.0 13.0 -14.4 6 9 A K E -a 30 0A 37 23,-0.2 74,-3.3 -2,-0.2 75,-1.7 -0.968 14.2-173.8-115.9 131.5 2.3 11.5 -17.4 7 10 A A E -ab 31 81A 0 23,-3.0 25,-2.5 -2,-0.5 2,-0.5 -0.954 18.9-157.2-129.4 142.2 -0.2 8.7 -16.9 8 11 A I E -ab 32 82A 0 73,-2.7 75,-3.2 -2,-0.4 2,-0.6 -0.980 10.7-167.9-113.4 125.9 -2.2 6.3 -19.0 9 12 A V E > -ab 33 83A 0 23,-2.6 25,-2.0 -2,-0.5 3,-0.8 -0.897 8.9-154.6-116.5 103.1 -5.4 4.9 -17.5 10 13 A I E 3 S+ab 34 84A 3 73,-2.6 75,-2.4 -2,-0.6 76,-1.4 -0.658 87.4 12.9 -76.8 111.1 -6.9 2.1 -19.5 11 14 A G T 3 S+ 0 0 4 -2,-0.7 3,-0.3 23,-0.5 6,-0.3 0.889 82.1 147.2 86.3 50.4 -10.6 2.1 -18.6 12 15 A G < + 0 0 0 22,-2.0 23,-0.2 -3,-0.8 9,-0.1 0.192 44.2 86.1-104.1 16.5 -10.7 5.5 -16.9 13 16 A T S S+ 0 0 11 21,-0.5 2,-0.3 1,-0.1 -1,-0.2 0.635 90.4 42.1 -90.1 -14.5 -14.2 6.6 -17.9 14 17 A H S >> S- 0 0 89 -3,-0.3 3,-1.2 0, 0.0 4,-1.1 -0.972 103.9 -42.3-139.9 145.0 -15.9 4.9 -14.9 15 18 A G H 3> S+ 0 0 23 -2,-0.3 4,-2.8 1,-0.3 5,-0.2 -0.069 122.1 12.3 51.5-118.6 -15.7 4.3 -11.2 16 19 A X H 3> S+ 0 0 45 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.882 132.5 49.7 -64.5 -41.6 -12.2 3.3 -10.0 17 20 A G H <> S+ 0 0 0 -3,-1.2 4,-2.4 -6,-0.3 -2,-0.2 0.947 113.8 45.6 -59.0 -49.7 -10.6 4.3 -13.2 18 21 A L H X S+ 0 0 24 -4,-1.1 4,-2.9 1,-0.2 -2,-0.2 0.856 110.4 54.2 -63.5 -36.6 -12.3 7.7 -13.2 19 22 A A H X S+ 0 0 10 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.909 110.1 46.9 -63.3 -41.9 -11.5 8.1 -9.5 20 23 A T H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.903 112.0 50.9 -64.1 -43.6 -7.8 7.5 -10.3 21 24 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.924 108.1 52.4 -58.9 -48.0 -8.1 10.0 -13.2 22 25 A R H X S+ 0 0 97 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.933 111.7 45.4 -55.7 -49.0 -9.6 12.6 -11.0 23 26 A R H X S+ 0 0 80 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.884 111.9 52.1 -63.4 -40.4 -6.8 12.4 -8.4 24 27 A L H <>S+ 0 0 0 -4,-2.4 5,-2.4 2,-0.2 -1,-0.2 0.917 111.9 47.2 -60.6 -44.2 -4.2 12.4 -11.2 25 28 A V H ><5S+ 0 0 15 -4,-2.7 3,-1.9 1,-0.2 -2,-0.2 0.936 109.1 51.4 -64.4 -48.2 -5.7 15.5 -12.6 26 29 A E H 3<5S+ 0 0 164 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.773 107.8 56.1 -61.2 -25.6 -6.0 17.4 -9.3 27 30 A G T 3<5S- 0 0 14 -4,-1.3 -25,-2.2 -5,-0.2 -1,-0.3 0.446 121.9-106.1 -87.5 -1.9 -2.4 16.6 -8.7 28 31 A G T < 5 + 0 0 34 -3,-1.9 -24,-0.6 1,-0.3 2,-0.2 0.665 68.1 147.0 88.9 19.6 -1.3 18.3 -12.0 29 32 A A < - 0 0 0 -5,-2.4 2,-0.5 -26,-0.2 -1,-0.3 -0.581 51.3-118.9 -86.9 148.6 -0.5 15.1 -14.0 30 33 A E E -a 6 0A 86 -25,-2.5 -23,-3.0 -28,-0.2 2,-0.4 -0.761 39.8-165.7 -82.6 129.1 -1.0 14.8 -17.8 31 34 A V E -ac 7 52A 0 20,-0.5 22,-3.0 -2,-0.5 2,-0.4 -0.964 24.7-173.6-127.7 132.3 -3.5 12.0 -18.4 32 35 A L E -ac 8 53A 2 -25,-2.5 -23,-2.6 -2,-0.4 2,-0.3 -0.981 22.0-178.8-110.9 133.9 -4.6 9.9 -21.4 33 36 A L E -ac 9 54A 0 20,-3.0 22,-2.0 -2,-0.4 2,-0.3 -0.969 11.6-155.1-133.5 151.3 -7.5 7.6 -20.6 34 37 A T E +ac 10 55A 6 -25,-2.0 -22,-2.0 -2,-0.3 -23,-0.5 -0.772 10.1 178.3-120.7 169.2 -9.5 5.1 -22.6 35 38 A G E - c 0 56A 2 20,-1.1 22,-1.6 -2,-0.3 6,-0.1 -0.901 30.6-137.2-170.5 137.3 -13.0 3.6 -22.5 36 39 A R S S+ 0 0 99 -2,-0.3 2,-0.2 20,-0.2 -1,-0.1 0.933 87.7 66.8 -60.3 -50.8 -15.1 1.1 -24.4 37 40 A N > - 0 0 66 1,-0.1 4,-1.3 20,-0.1 20,-0.1 -0.564 66.7-152.6 -87.8 140.1 -18.3 3.2 -24.4 38 41 A E H > S+ 0 0 106 -2,-0.2 4,-2.4 2,-0.2 5,-0.2 0.742 92.8 61.3 -87.9 -26.7 -18.6 6.5 -26.2 39 42 A S H > S+ 0 0 80 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.871 108.1 48.5 -63.3 -36.2 -21.2 8.1 -24.1 40 43 A N H > S+ 0 0 37 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.912 109.8 50.2 -66.1 -45.0 -18.7 7.8 -21.3 41 44 A I H X S+ 0 0 3 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.893 113.3 46.1 -62.1 -41.0 -15.9 9.3 -23.4 42 45 A A H X S+ 0 0 57 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.903 110.7 52.7 -67.5 -42.0 -18.1 12.2 -24.3 43 46 A R H X S+ 0 0 143 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.882 110.2 49.8 -59.2 -40.0 -19.1 12.7 -20.7 44 47 A I H X>S+ 0 0 3 -4,-2.4 4,-3.0 2,-0.2 5,-0.5 0.945 108.0 50.7 -62.7 -51.5 -15.5 12.8 -19.8 45 48 A R H X5S+ 0 0 132 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.799 109.8 53.7 -59.3 -30.2 -14.5 15.4 -22.4 46 49 A E H <5S+ 0 0 158 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.937 114.1 40.3 -64.5 -48.7 -17.4 17.4 -21.0 47 50 A E H <5S+ 0 0 88 -4,-1.9 -2,-0.2 -5,-0.1 -3,-0.1 0.869 132.2 20.1 -72.5 -38.7 -16.1 17.2 -17.5 48 51 A F H ><5S- 0 0 31 -4,-3.0 3,-1.6 1,-0.2 -3,-0.2 0.750 77.7-178.2-107.6 -30.9 -12.4 17.7 -18.2 49 52 A G G >< - 0 0 46 -2,-0.3 3,-1.4 1,-0.1 6,-0.2 -0.852 11.8-157.2 -94.6 114.2 -11.7 -1.4 -27.1 59 62 A I T 3 S+ 0 0 10 -2,-0.7 -1,-0.1 1,-0.3 56,-0.1 0.792 92.5 59.3 -61.4 -27.6 -9.0 -3.2 -25.0 60 63 A A T 3 S+ 0 0 36 1,-0.1 2,-0.8 -3,-0.1 -1,-0.3 0.692 87.9 83.5 -74.4 -20.5 -10.2 -6.5 -26.6 61 64 A D <> - 0 0 55 -3,-1.4 4,-1.6 1,-0.2 3,-0.5 -0.771 63.2-162.0 -92.4 108.9 -9.5 -5.4 -30.2 62 65 A L H > S+ 0 0 43 -2,-0.8 4,-1.0 1,-0.3 -1,-0.2 0.756 91.9 55.0 -62.8 -26.2 -5.8 -5.8 -31.0 63 66 A N H > S+ 0 0 126 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.873 106.2 50.3 -69.9 -39.1 -6.1 -3.4 -33.9 64 67 A E H > S+ 0 0 39 -3,-0.5 4,-2.3 1,-0.2 -2,-0.2 0.783 103.1 61.2 -71.4 -25.6 -7.5 -0.7 -31.6 65 68 A I H X S+ 0 0 9 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.874 101.6 53.3 -63.9 -38.0 -4.5 -1.4 -29.3 66 69 A A H X S+ 0 0 52 -4,-1.0 4,-1.9 2,-0.2 -2,-0.2 0.907 107.9 48.8 -63.0 -45.1 -2.3 -0.3 -32.2 67 70 A V H X S+ 0 0 93 -4,-1.5 4,-2.9 1,-0.2 -2,-0.2 0.934 109.8 53.9 -57.8 -46.0 -4.2 2.9 -32.6 68 71 A L H X S+ 0 0 4 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.898 104.7 53.9 -55.8 -45.5 -3.8 3.4 -28.9 69 72 A G H X S+ 0 0 2 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.921 111.8 43.7 -56.9 -48.1 -0.0 3.0 -29.1 70 73 A A H X S+ 0 0 41 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.933 113.7 52.0 -61.4 -47.1 0.3 5.7 -31.8 71 74 A A H X S+ 0 0 16 -4,-2.9 4,-2.1 1,-0.2 5,-0.2 0.934 110.3 47.6 -55.0 -52.0 -2.1 8.0 -29.9 72 75 A A H X>S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 5,-1.8 0.894 112.9 48.8 -56.8 -45.3 -0.1 7.6 -26.6 73 76 A G H <5S+ 0 0 31 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.893 115.6 42.5 -63.9 -42.5 3.2 8.3 -28.4 74 77 A Q H <5S+ 0 0 168 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.755 124.2 38.4 -75.5 -26.3 1.9 11.4 -30.2 75 78 A T H <5S+ 0 0 50 -4,-2.1 -2,-0.2 -5,-0.3 -3,-0.2 0.946 136.0 7.8 -89.7 -63.4 0.1 12.6 -27.1 76 79 A L T <5S- 0 0 12 -4,-2.4 -3,-0.2 -5,-0.2 2,-0.2 0.915 73.6-160.6 -89.1 -50.8 2.2 11.9 -24.1 77 80 A G S > - 0 0 64 0, 0.0 3,-2.1 0, 0.0 4,-0.6 -0.233 46.6-107.9 -55.8 150.7 -22.2 -21.5 -12.7 94 97 A F G >4 S+ 0 0 13 1,-0.3 3,-0.6 2,-0.2 264,-0.1 0.762 117.5 55.9 -60.4 -28.0 -19.3 -23.3 -14.4 95 98 A D G 34 S+ 0 0 95 1,-0.2 -1,-0.3 266,-0.0 260,-0.0 0.584 105.3 52.7 -81.5 -9.7 -21.5 -25.8 -16.2 96 99 A Q G <4 S+ 0 0 133 -3,-2.1 -1,-0.2 2,-0.1 2,-0.2 0.493 81.6 116.7 -98.7 -7.5 -23.5 -23.0 -17.9 97 100 A V << - 0 0 5 -4,-0.6 2,-0.2 -3,-0.6 -3,-0.0 -0.437 50.6-158.3 -65.0 127.1 -20.4 -21.2 -19.2 98 101 A S > - 0 0 56 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.555 30.0-108.5 -99.3 170.5 -20.3 -21.1 -23.0 99 102 A E H > S+ 0 0 89 2,-0.2 4,-3.4 -2,-0.2 5,-0.2 0.891 119.1 51.9 -64.7 -39.7 -17.3 -20.6 -25.3 100 103 A A H > S+ 0 0 47 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.943 112.4 43.3 -62.7 -50.4 -18.5 -17.1 -26.2 101 104 A S H > S+ 0 0 1 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.884 116.3 49.8 -62.8 -38.7 -18.9 -16.0 -22.6 102 105 A Y H X S+ 0 0 7 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.953 113.8 45.2 -60.3 -51.2 -15.5 -17.7 -21.8 103 106 A D H X S+ 0 0 68 -4,-3.4 4,-2.3 1,-0.2 -2,-0.2 0.912 110.4 54.3 -60.8 -46.3 -13.9 -15.9 -24.7 104 107 A R H X S+ 0 0 125 -4,-3.2 4,-1.8 2,-0.2 5,-0.3 0.922 109.9 45.2 -54.4 -51.8 -15.4 -12.5 -24.0 105 108 A Q H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 5,-0.3 0.925 116.8 43.8 -64.8 -44.9 -14.1 -12.4 -20.4 106 109 A F H X>S+ 0 0 17 -4,-1.9 5,-2.6 -5,-0.2 4,-1.4 0.822 109.3 59.1 -68.1 -29.7 -10.6 -13.6 -21.1 107 110 A A H <>S+ 0 0 31 -4,-2.3 5,-2.5 -5,-0.2 -2,-0.2 0.922 118.9 27.4 -65.8 -44.8 -10.4 -11.3 -24.2 108 111 A V H <>S+ 0 0 11 -4,-1.8 5,-0.5 -5,-0.2 -2,-0.2 0.949 126.2 42.7 -79.7 -54.6 -11.0 -8.1 -22.1 109 112 A N H <5S+ 0 0 2 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.756 132.9 4.8 -70.1 -27.3 -9.6 -9.1 -18.7 110 113 A T T X5S+ 0 0 0 -4,-1.4 4,-2.6 -5,-0.3 -3,-0.2 0.754 127.6 41.2-125.4 -61.6 -6.5 -10.9 -19.7 111 114 A K H >X S+ 0 0 0 -4,-2.0 3,-2.1 1,-0.2 4,-0.6 0.699 91.6 86.1 -92.3 -21.4 2.6 0.6 -24.2 121 124 A T G >< S+ 0 0 1 -4,-2.8 3,-1.7 1,-0.3 -1,-0.2 0.846 79.6 62.6 -52.0 -43.0 5.6 -0.6 -22.2 122 125 A P G 34 S+ 0 0 89 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.667 100.8 56.3 -60.6 -12.7 8.3 0.9 -24.4 123 126 A L G <4 S+ 0 0 32 -3,-2.1 -44,-2.0 -45,-0.1 2,-0.3 0.683 82.3 106.9 -86.9 -21.1 6.9 4.4 -23.6 124 127 A I E << -d 79 0A 5 -3,-1.7 -44,-0.2 -4,-0.6 3,-0.1 -0.429 69.9-128.0 -68.9 121.8 7.3 3.9 -19.8 125 128 A R E > - 0 0 107 -46,-3.3 3,-2.0 -2,-0.3 2,-0.2 -0.230 31.6 -92.5 -60.4 152.8 10.2 5.9 -18.3 126 129 A E E 3 S+ 0 0 170 1,-0.3 44,-0.2 45,-0.1 45,-0.2 -0.524 121.2 31.3 -61.3 131.9 12.8 4.3 -16.1 127 130 A G E 3 S+ 0 0 46 43,-2.1 -1,-0.3 42,-0.5 44,-0.1 0.167 100.3 116.3 96.6 -16.6 11.5 4.7 -12.6 128 131 A G E < - 0 0 3 -3,-2.0 44,-1.9 -49,-0.2 -1,-0.3 -0.000 50.4-146.5 -74.1-175.3 8.0 4.4 -13.9 129 132 A S E -de 81 172A 0 -49,-2.5 -47,-2.2 42,-0.2 2,-0.4 -0.995 14.5-134.4-154.8 158.1 5.5 1.7 -13.1 130 133 A I E -de 82 173A 0 42,-2.8 44,-2.5 -2,-0.3 2,-0.5 -0.956 20.6-167.1-110.1 133.0 2.6 -0.4 -14.2 131 134 A V E -de 83 174A 0 -49,-2.5 -47,-2.4 -2,-0.4 2,-0.4 -0.973 3.9-160.5-123.2 118.9 -0.4 -0.9 -11.9 132 135 A F E -de 84 175A 2 42,-2.7 44,-2.2 -2,-0.5 2,-0.9 -0.760 15.2-136.9 -93.6 138.8 -3.0 -3.6 -12.6 133 136 A T E + e 0 176A 6 -49,-2.7 44,-0.2 -2,-0.4 42,-0.1 -0.851 37.8 165.2 -91.7 105.0 -6.5 -3.5 -11.2 134 137 A S - 0 0 2 42,-2.7 2,-0.3 -2,-0.9 43,-0.1 0.231 26.8-118.2 -91.4-142.9 -7.2 -7.1 -10.1 135 138 A S > - 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